3091-4782 Screening compound: 4,5,6,7-tetrachloro-2-[1-(3-chloro-4-methylphenyl)-2-(2,5-dimethoxyphenyl)-4-oxoazetidin-3-yl]-2,3-dihydro-1H-isoindole-1,3-dione

3091-4782 Screening compound: 4,5,6,7-tetrachloro-2-[1-(3-chloro-4-methylphenyl)-2-(2,5-dimethoxyphenyl)-4-oxoazetidin-3-yl]-2,3-dihydro-1H-isoindole-1,3-dione
3091-4782 Screening compound: 4,5,6,7-tetrachloro-2-[1-(3-chloro-4-methylphenyl)-2-(2,5-dimethoxyphenyl)-4-oxoazetidin-3-yl]-2,3-dihydro-1H-isoindole-1,3-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3091-4782
4,5,6,7-tetrachloro-2-[1-(3-chloro-4-methylphenyl)-2-(2,5-dimethoxyphenyl)-4-oxoazetidin-3-yl]-2,3-dihydro-1H-isoindole-1,3-dione

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

3091-4782

Molecular Formula

C26H17Cl5N2O5 (C26 H17 Cl5 N2 O5)

Compound Name

4,5,6,7-tetrachloro-2-[1-(3-chloro-4-methylphenyl)-2-(2,5-dimethoxyphenyl)-4-oxoazetidin-3-yl]-2,3-dihydro-1H-isoindole-1,3-dione

IUPAC name

4567-tetrachloro-2-[1-(3-chloro-4-methylphenyl)-2-(25-dimethoxyphenyl)-4-oxoazetidin-3-yl]-23-dihydro-1H-isoindole-13-dione

SMILES

Cc(ccc(N(C(C1N(C(c(c2c(c(Cl)c3Cl)Cl)c3Cl)=O)C2=O)c(cc(cc2)OC)c2OC)C1=O)c1)c1Cl

InChI

InChI=1S/C26H17Cl5N2O5/c1-10-4-5-11(8-14(10)27)32-22(13-9-12(37-2)6-7-15(13)38-3)23(26(32)36)33-24(34)16-17(25(33)35)19(29)21(31)20(30)18(16)28/h4-9,22-23H,1-3H3

InChI Key

SBYXZCIDVINVDT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02086105

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

614.69

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.356

Distribution Coefficient, logD

6.356

Water Solubility, LogSw

-7.29

Polar Surface Area

58.030

Acid Dissociation Constant (pKa)

16.55

Base Dissociation Constant (pKb)

-3.57

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

19.20

References: we are preparing a list of scientific research reports with 3091-4782 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3091-4782?
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What is the minimum amount of 3091-4782 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3091-4782
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3091-4782
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of 3091-4782 available by request